# generated using pymatgen data_Ca2Cr2(SiO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.39382507 _cell_length_b 10.39382507 _cell_length_c 10.39382507 _cell_angle_alpha 109.07252871 _cell_angle_beta 109.07252871 _cell_angle_gamma 110.27158130 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Cr2(SiO4)3 _chemical_formula_sum 'Ca8 Cr8 Si12 O48' _cell_volume 864.25251865 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.49698100 0.12500000 0.87198100 1.0 Ca Ca1 1 0.25301900 0.62500000 0.12801900 1.0 Ca Ca2 1 0.99698100 0.12500000 0.37198100 1.0 Ca Ca3 1 0.37500000 0.00301900 0.12801900 1.0 Ca Ca4 1 0.37500000 0.50301900 0.62801900 1.0 Ca Ca5 1 0.75301900 0.62500000 0.62801900 1.0 Ca Ca6 1 0.87500000 0.74698100 0.37198100 1.0 Ca Ca7 1 0.87500000 0.24698100 0.87198100 1.0 Cr Cr8 1 0.12500000 0.37500000 0.75000000 1.0 Cr Cr9 1 0.62500000 0.37500000 0.75000000 1.0 Cr Cr10 1 0.62500000 0.87500000 0.25000000 1.0 Cr Cr11 1 0.12500000 0.87500000 0.25000000 1.0 Cr Cr12 1 0.62500000 0.37500000 0.25000000 1.0 Cr Cr13 1 0.62500000 0.87500000 0.75000000 1.0 Cr Cr14 1 0.12500000 0.37500000 0.25000000 1.0 Cr Cr15 1 0.12500000 0.87500000 0.75000000 1.0 Si Si16 1 0.87500000 0.99895500 0.62395500 1.0 Si Si17 1 0.37500000 0.75104500 0.87604500 1.0 Si Si18 1 0.50104500 0.62500000 0.37604500 1.0 Si Si19 1 0.00000000 0.00000000 0.00000000 1.0 Si Si20 1 0.24895500 0.12500000 0.62395500 1.0 Si Si21 1 0.75000000 0.25000000 0.50000000 1.0 Si Si22 1 0.37500000 0.25104500 0.37604500 1.0 Si Si23 1 0.25000000 0.75000000 0.50000000 1.0 Si Si24 1 0.50000000 0.50000000 0.00000000 1.0 Si Si25 1 0.00104500 0.62500000 0.87604500 1.0 Si Si26 1 0.74895500 0.12500000 0.12395500 1.0 Si Si27 1 0.87500000 0.49895500 0.12395500 1.0 O O28 1 0.01825500 0.45972900 0.13359100 1.0 O O29 1 0.71208200 0.26767500 0.64679000 1.0 O O30 1 0.43361500 0.18140500 0.66801800 1.0 O O31 1 0.73174500 0.36533600 0.94147400 1.0 O O32 1 0.01559700 0.18361500 0.75221000 1.0 O O33 1 0.12911600 0.98232500 0.94440700 1.0 O O34 1 0.43140500 0.26338600 0.24779000 1.0 O O35 1 0.51338600 0.76559700 0.33198200 1.0 O O36 1 0.31859500 0.06638500 0.33198200 1.0 O O37 1 0.51767500 0.37088400 0.05559300 1.0 O O38 1 0.13466400 0.76825500 0.05852600 1.0 O O39 1 0.04027100 0.48174500 0.86640900 1.0 O O40 1 0.23232500 0.78791800 0.35321000 1.0 O O41 1 0.61533600 0.17386200 0.13359100 1.0 O O42 1 0.31529100 0.46208200 0.94440700 1.0 O O43 1 0.70972900 0.07613800 0.94147400 1.0 O O44 1 0.43470900 0.87911600 0.64679000 1.0 O O45 1 0.42386200 0.79027100 0.05852600 1.0 O O46 1 0.32613800 0.88466400 0.86640900 1.0 O O47 1 0.93140500 0.68361500 0.16801800 1.0 O O48 1 0.03791800 0.18470900 0.05559300 1.0 O O49 1 0.31638500 0.48440300 0.24779000 1.0 O O50 1 0.23661400 0.06859500 0.75221000 1.0 O O51 1 0.73440300 0.98661400 0.66801800 1.0 O O52 1 0.23174500 0.29027100 0.36640900 1.0 O O53 1 0.53791800 0.48232500 0.85321000 1.0 O O54 1 0.81638500 0.56859500 0.83198200 1.0 O O55 1 0.51825500 0.38466400 0.55852600 1.0 O O56 1 0.23440300 0.56638500 0.74779000 1.0 O O57 1 0.12088400 0.76767500 0.55559300 1.0 O O58 1 0.81859500 0.48661400 0.25221000 1.0 O O59 1 0.73661400 0.98440300 0.16801800 1.0 O O60 1 0.51559700 0.76338600 0.83198200 1.0 O O61 1 0.01338600 0.68140500 0.74779000 1.0 O O62 1 0.93361500 0.26559700 0.25221000 1.0 O O63 1 0.21208200 0.56529100 0.44440700 1.0 O O64 1 0.62911600 0.68470900 0.14679000 1.0 O O65 1 0.92386200 0.86533600 0.63359100 1.0 O O66 1 0.82613800 0.95972900 0.44147400 1.0 O O67 1 0.81529100 0.87088400 0.85321000 1.0 O O68 1 0.54027100 0.67386200 0.55852600 1.0 O O69 1 0.93470900 0.28791800 0.55559300 1.0 O O70 1 0.63466400 0.57613800 0.36640900 1.0 O O71 1 0.01767500 0.96208200 0.14679000 1.0 O O72 1 0.20972900 0.26825500 0.63359100 1.0 O O73 1 0.11533600 0.98174500 0.44147400 1.0 O O74 1 0.73232500 0.37911600 0.44440700 1.0 O O75 1 0.62088400 0.06529100 0.35321000 1.0