data_[Mn1Co1Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6562]
_cell_length_b [4.3064]
_cell_length_c [4.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnCoMo2]
_chemical_formula_sum '[Mn1 Co1 Mo2]'
_cell_volume [53.4697]
_cell_formula_units_Z [1]
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  0.3512  0.5000  0.7813  1
  Co  Co1  1  0.3839  0.0000  0.4695  1
  Mo  Mo2  1  0.7701  0.5000  0.2888  1
  Mo  Mo3  1  0.9948  0.0000  0.9603  1
]