data_BaMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   133.22
_cell_angle_beta   107.27
_cell_angle_gamma   91.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoP2
_chemical_formula_sum   'Ba1 Mo1 P2'
_cell_volume   101.26
_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
  Ba  Ba0  1  0.0  0.0  0.75  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.17  0.62  1.0
  P  P3  1  0.13  0.0  0.14  1.0

data_BaMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   72.73
_cell_angle_beta   66.61
_cell_angle_gamma   66.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMoP2
_chemical_formula_sum   'Ba1 Mo1 P2'
_cell_volume   101.26
_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
  Ba  Ba0  1  -0.0  0.0  0.75  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  P  P2  1  -0.0  0.87  0.14  1.0
  P  P3  1  0.17  0.0  0.44  1.0

Ba Mo P P