# generated using pymatgen
data_MnCoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62333500
_cell_length_b   6.13495800
_cell_length_c   6.96077400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoAs
_chemical_formula_sum   'Mn4 Co4 As4'
_cell_volume   154.73110124
_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
  Mn  Mn0  1  0.75000000  0.47012500  0.17221700  1.0
  Mn  Mn1  1  0.75000000  0.97012500  0.32778300  1.0
  Mn  Mn2  1  0.25000000  0.52987500  0.82778300  1.0
  Mn  Mn3  1  0.25000000  0.02987500  0.67221700  1.0
  Co  Co4  1  0.75000000  0.35877900  0.56429500  1.0
  Co  Co5  1  0.75000000  0.85877900  0.93570500  1.0
  Co  Co6  1  0.25000000  0.64122100  0.43570500  1.0
  Co  Co7  1  0.25000000  0.14122100  0.06429500  1.0
  As  As8  1  0.75000000  0.23785600  0.87485600  1.0
  As  As9  1  0.75000000  0.73785600  0.62514400  1.0
  As  As10  1  0.25000000  0.76214400  0.12514400  1.0
  As  As11  1  0.25000000  0.26214400  0.37485600  1.0